CID 53415226

1354351-30-6

Structural Information

Molecular Formula

C₁₁H₂₁FN₂O₂

SMILES

CC(C)(C)OC(=O)NCC1(CCNCC1)F

InChI

InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-8-11(12)4-6-13-7-5-11/h13H,4-8H2,1-3H3,(H,14,15)

InChIKey

QBENUNRDGNUPQJ-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 232.1587 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	233.165976	155.1
[M+Na]+	255.147918	158.9
[M-H]-	231.151424	153.6
[M+NH4]+	250.192523	172.5
[M+K]+	271.121858	157.4
[M+H-H2O]+	215.155960	148.6
[M+HCOO]-	277.156901	169.9
[M+CH3COO]-	291.172551	188.0
[M+Na-2H]-	253.133366	159.3
[M]+	232.15815142	149.3
[M]-	232.15924858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe